Data quality metrics extracted from 7zkw.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "c1649c961a5eb00ef416149b70bc7d4f",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 283.372,
    "b": 64.065,
    "c": 55.443,
    "alpha": 90.000,
    "beta": 99.946,
    "gamma": 90.000
  },
  "wavelengths": [0.97620],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [69.78,3.37],
    "number_observations_unique": 13144,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.15
      },
      {
        "type": "I/SigI",
        "value": 2.0
      },
      {
        "type": "Completeness",
        "value": 99.95
      },
      {
        "type": "Redundancy",
        "value": 6.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.79
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.52,3.37],
      "number_observations_unique": 3643,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.10
        }
      ]
    }
  ]

}
  

Table 1 generated from MXLIMS-JSON (via JavaScript):


Binned data generated from MXLIMS-JSON (via JavaScript):